UCSF

ZINC42128072

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.48 1.58 -20.44 1 6 0 76 266.345 4
Mid Mid (pH 6-8) 0.48 3.74 -62.18 2 6 1 78 267.353 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )